3-(2-methylpropylcarbamoylamino)-2-(5-nitro-2-phenyl-phenyl)hexanedioic acid

Systemtic Name: 3-(2-methylpropylcarbamoylamino)-2-(5-nitro-2-phenyl-phenyl)hexanedioic acid Openeye Name: 3-(isobutylcarbamoylamino)-2-(5-nitro-2-phenyl-phenyl)hexanedioic acid CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]-2-(5-nitro-2-phenylphenyl)hexanedioic acid IUPAC Name: 3-(2-methylpropylcarbamoylamino)-2-(5-nitro-2-phenylphenyl)hexanedioic acid Traditional Name: 3-(isobutylcarbamoylamino)-2-(5-nitro-2-phenyl-phenyl)adipic acid Formula: C23H27N3O7 MolecularWeight: 457.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H27N3O7/c1-14(2)13-24-23(31)25-19(10-11-20(27)28)21(22(29)30)18-12-16(26(32)33)8-9-17(18)15-6-4-3-5-7-15/h3-9,12,14,19,21H,10-11,13H2,1-2H3,(H,27,28)(H,29,30)(H2,24,25,31)